6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C98H66N6O2 — CID 163979746

IUPAC6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCC1(C)c2cc(N(c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(ccc6oc7cc(N(c8ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8cc%10ccccc%10cc8-9)ccc7c65)c34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C98H66N6O2/c1-97(2)81-53-63-21-13-11-19-61(63)51-79(81)73-43-39-69(55-83(73)97)101(67-35-31-59(32-36-67)95-99-85-27-15-17-29-87(85)103(95)65-23-7-5-8-24-65)71-41-45-77-91(57-71)105-89-49-47-76-75(93(77)89)48-50-90-94(76)78-46-42-72(58-92(78)106-90)102(70-40-44-74-80-52-62-20-12-14-22-64(62)54-82(80)98(3,4)84(74)56-70)68-37-33-60(34-38-68)96-100-86-28-16-18-30-88(86)104(96)66-25-9-6-10-26-66/h5-58H,1-4H3
InChIKeySXIPQRLPODTICJ-UHFFFAOYSA-N
MW1359.65 g/mol
LogP26.51
Rot. Bonds10

About 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 163979746) has the molecular formula C98H66N6O2 and a molecular weight of 1359.65 g/mol. Its IUPAC name is 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

Compound Name6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
PubChem CID163979746
Molecular FormulaC98H66N6O2
Molecular Weight1359.65 g/mol
Exact Mass1358.52
IUPAC Name6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
SMILESCC1(C)c2cc(N(c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(ccc6oc7cc(N(c8ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8cc%10ccccc%10cc8-9)ccc7c65)c34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C98H66N6O2/c1-97(2)81-53-63-21-13-11-19-61(63)51-79(81)73-43-39-69(55-83(73)97)101(67-35-31-59(32-36-67)95-99-85-27-15-17-29-87(85)103(95)65-23-7-5-8-24-65)71-41-45-77-91(57-71)105-89-49-47-76-75(93(77)89)48-50-90-94(76)78-46-42-72(58-92(78)106-90)102(70-40-44-74-80-52-62-20-12-14-22-64(62)54-82(80)98(3,4)84(74)56-70)68-37-33-60(34-38-68)96-100-86-28-16-18-30-88(86)104(96)66-25-9-6-10-26-66/h5-58H,1-4H3
InChIKeySXIPQRLPODTICJ-UHFFFAOYSA-N
XLogP26.51
TPSA68.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.65
LogP ≤ 526.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine with MolForge

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Related Compounds

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CID 155473648
15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine
CID 172504367
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-15-phenyl-N-(4-phenylphenyl)-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18(23),19,21,26-dodecaen-21-amine
CID 163659315
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CID 143828986
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CID 143828941
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine
CID 163865645
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The IUPAC name of 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 163979746) is 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.
What is the SMILES notation for 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The canonical SMILES for 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is CC1(C)c2cc(N(c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(ccc6oc7cc(N(c8ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8cc%10ccccc%10cc8-9)ccc7c65)c34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
The InChIKey is SXIPQRLPODTICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H66N6O2/c1-97(2)81-53-63-21-13-11-19-61(63)51-79(81)73-43-39-69(55-83(73)97)101(67-35-31-59(32-36-67)95-99-85-27-15-17-29-87(85)103(95)65-23-7-5-8-24-65)71-41-45-77-91(57-71)105-89-49-47-76-75(93(77)89)48-50-90-94(76)78-46-42-72(58-92(78)106-90)102(70-40-44-74-80-52-62-20-12-14-22-64(62)54-82(80)98(3,4)84(74)56-70)68-37-33-60(34-38-68)96-100-86-28-16-18-30-88(86)104(96)66-25-9-6-10-26-66/h5-58H,1-4H3.
What are the key properties of 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?
6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 1359.65 g/mol, XLogP of 26.51, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 163979746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).