8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene

C75H47N — CID 164740425

IUPAC8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc6ccccc6c5c5c6cc7cccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c7cc6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C75H47N/c1-4-20-49(21-5-1)71-61-29-12-14-31-63(61)72(64-32-15-13-30-62(64)71)50-35-40-56(41-36-50)76-69-43-38-48-19-10-11-27-58(48)73(69)74-66-46-51-22-18-33-57(65(51)45-52(66)39-44-70(74)76)53-37-42-60-59-28-16-17-34-67(59)75(68(60)47-53,54-23-6-2-7-24-54)55-25-8-3-9-26-55/h1-47H
InChIKeySNJMIZWNPWOWQP-UHFFFAOYSA-N
MW962.21 g/mol
LogP19.91
Rot. Bonds6

About 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene

8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene (PubChem CID 164740425) has the molecular formula C75H47N and a molecular weight of 962.21 g/mol. Its IUPAC name is 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene.

Molecular Properties

Compound Name8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
PubChem CID164740425
Molecular FormulaC75H47N
Molecular Weight962.21 g/mol
Exact Mass961.37
IUPAC Name8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc6ccccc6c5c5c6cc7cccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c7cc6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C75H47N/c1-4-20-49(21-5-1)71-61-29-12-14-31-63(61)72(64-32-15-13-30-62(64)71)50-35-40-56(41-36-50)76-69-43-38-48-19-10-11-27-58(48)73(69)74-66-46-51-22-18-33-57(65(51)45-52(66)39-44-70(74)76)53-37-42-60-59-28-16-17-34-67(59)75(68(60)47-53,54-23-6-2-7-24-54)55-25-8-3-9-26-55/h1-47H
InChIKeySNJMIZWNPWOWQP-UHFFFAOYSA-N
XLogP19.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.21
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene with MolForge

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Related Compounds

4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123195279
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
12-[4-(3-anthracen-1-yl-10-phenylanthracen-9-yl)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;12-[4-(3-anthracen-2-yl-10-phenylanthracen-9-yl)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;12-[4-(3-anthracen-9-yl-10-phenylanthracen-9-yl)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
CID 158511893
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
CID 156676922
3-(4-carbazol-9-ylphenyl)-6-[6-[9-[4-[6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazol-4-yl]-9,9-diphenylfluoren-2-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 154554195
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
12-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-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;7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-N-naphthalen-1-yl-9-[4-(N-naphthalen-1-ylanilino)naphthalen-1-yl]-N-phenylbenzo[c]carbazol-5-amine;7-[7-[7-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-9,9-diphenylfluoren-2-yl]-9-naphthalen-1-ylbenzo[c]carbazole;7-[4-[4-[9,9-diphenyl-7-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9-naphthalen-1-ylbenzo[c]carbazole
CID 159078656
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
12-[4-(10-phenylanthracen-9-yl)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
CID 86675838
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]carbazole
CID 118475183
9-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475186

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene?
The IUPAC name of 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene (CID 164740425) is 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene.
What is the SMILES notation for 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene?
The canonical SMILES for 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc6ccccc6c5c5c6cc7cccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c7cc6ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene?
The InChIKey is SNJMIZWNPWOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N/c1-4-20-49(21-5-1)71-61-29-12-14-31-63(61)72(64-32-15-13-30-62(64)71)50-35-40-56(41-36-50)76-69-43-38-48-19-10-11-27-58(48)73(69)74-66-46-51-22-18-33-57(65(51)45-52(66)39-44-70(74)76)53-37-42-60-59-28-16-17-34-67(59)75(68(60)47-53,54-23-6-2-7-24-54)55-25-8-3-9-26-55/h1-47H.
What are the key properties of 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene?
8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene has a molecular weight of 962.21 g/mol, XLogP of 19.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-diphenylfluoren-2-yl)-15-[4-(10-phenylanthracen-9-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene is sourced from PubChem (CID 164740425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).