15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C116H84N6 — CID 146540103

IUPAC15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4cccc(-c5cccc(N(c6ccccc6C)c6cc7c(c8ccccc68)c6c8ccccc8c(N(c8ccccc8)c8ccccc8C)cc6n7-c6cccc(-c7ccccc7)c6)c5)c4)cc2n3-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C116H84N6/c1-77-61-65-89(66-62-77)117(87-43-13-7-14-44-87)105-73-109-113(99-55-23-19-51-95(99)105)114-100-56-24-20-52-96(100)106(74-110(114)121(109)93-49-29-39-83(69-93)81-35-9-5-10-36-81)118(90-67-63-78(2)64-68-90)91-47-31-41-85(71-91)86-42-32-48-92(72-86)120(104-60-28-18-34-80(104)4)108-76-112-116(102-58-26-22-54-98(102)108)115-101-57-25-21-53-97(101)107(119(88-45-15-8-16-46-88)103-59-27-17-33-79(103)3)75-111(115)122(112)94-50-30-40-84(70-94)82-37-11-6-12-38-82/h5-76H,1-4H3
InChIKeyVVRJLCNYRJNKFI-UHFFFAOYSA-N
MW1561.99 g/mol
LogP32.61
Rot. Bonds17

About 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 146540103) has the molecular formula C116H84N6 and a molecular weight of 1561.99 g/mol. Its IUPAC name is 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID146540103
Molecular FormulaC116H84N6
Molecular Weight1561.99 g/mol
Exact Mass1560.68
IUPAC Name15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4cccc(-c5cccc(N(c6ccccc6C)c6cc7c(c8ccccc68)c6c8ccccc8c(N(c8ccccc8)c8ccccc8C)cc6n7-c6cccc(-c7ccccc7)c6)c5)c4)cc2n3-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C116H84N6/c1-77-61-65-89(66-62-77)117(87-43-13-7-14-44-87)105-73-109-113(99-55-23-19-51-95(99)105)114-100-56-24-20-52-96(100)106(74-110(114)121(109)93-49-29-39-83(69-93)81-35-9-5-10-36-81)118(90-67-63-78(2)64-68-90)91-47-31-41-85(71-91)86-42-32-48-92(72-86)120(104-60-28-18-34-80(104)4)108-76-112-116(102-58-26-22-54-98(102)108)115-101-57-25-21-53-97(101)107(119(88-45-15-8-16-46-88)103-59-27-17-33-79(103)3)75-111(115)122(112)94-50-30-40-84(70-94)82-37-11-6-12-38-82/h5-76H,1-4H3
InChIKeyVVRJLCNYRJNKFI-UHFFFAOYSA-N
XLogP32.61
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001561.99
LogP ≤ 532.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487457
9-N,15-N-bis(2-methylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487432
9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487388
N-(4-methylphenyl)-9-(3-phenylphenyl)-N-triphenylen-1-ylcarbazol-2-amine;N-(4-methylphenyl)-9-(4-phenylphenyl)-N-triphenylen-1-ylcarbazol-2-amine;N-(4-methylphenyl)-N-triphenylen-1-yl-9-triphenylen-2-ylcarbazol-2-amine
CID 158009729
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline
CID 143088757
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
16,16-dimethyl-N-(3-phenylphenyl)-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 155791302
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline;ethane
CID 143088756

Frequently Asked Questions

What is the IUPAC name of 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 146540103) is 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Cc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C)cc4)c4cccc(-c5cccc(N(c6ccccc6C)c6cc7c(c8ccccc68)c6c8ccccc8c(N(c8ccccc8)c8ccccc8C)cc6n7-c6cccc(-c7ccccc7)c6)c5)c4)cc2n3-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is VVRJLCNYRJNKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H84N6/c1-77-61-65-89(66-62-77)117(87-43-13-7-14-44-87)105-73-109-113(99-55-23-19-51-95(99)105)114-100-56-24-20-52-96(100)106(74-110(114)121(109)93-49-29-39-83(69-93)81-35-9-5-10-36-81)118(90-67-63-78(2)64-68-90)91-47-31-41-85(71-91)86-42-32-48-92(72-86)120(104-60-28-18-34-80(104)4)108-76-112-116(102-58-26-22-54-98(102)108)115-101-57-25-21-53-97(101)107(119(88-45-15-8-16-46-88)103-59-27-17-33-79(103)3)75-111(115)122(112)94-50-30-40-84(70-94)82-37-11-6-12-38-82/h5-76H,1-4H3.
What are the key properties of 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 1561.99 g/mol, XLogP of 32.61, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 146540103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).