14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C72H48N4 — CID 89285749

IUPAC14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1cc(N4c5ccccc5-c5ccccc5-c5ccccc54)ccc1n3-c1ccccc1)c1cc(N3c4ccccc4-c4ccccc4-c4ccccc43)ccc1N2c1ccccc1
InChIInChI=1S/C72H48N4/c1-3-19-49(20-4-1)73-69-39-35-47(43-61(69)63-45-51(37-41-71(63)73)75-65-31-15-11-27-57(65)53-23-7-8-24-54(53)58-28-12-16-32-66(58)75)48-36-40-70-62(44-48)64-46-52(38-42-72(64)74(70)50-21-5-2-6-22-50)76-67-33-17-13-29-59(67)55-25-9-10-26-56(55)60-30-14-18-34-68(60)76/h1-46,61,69H
InChIKeyJVRWULBEHJXZCX-UHFFFAOYSA-N
MW969.20 g/mol
LogP19.28
Rot. Bonds5

About 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 89285749) has the molecular formula C72H48N4 and a molecular weight of 969.20 g/mol. Its IUPAC name is 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID89285749
Molecular FormulaC72H48N4
Molecular Weight969.20 g/mol
Exact Mass968.39
IUPAC Name14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1cc(N4c5ccccc5-c5ccccc5-c5ccccc54)ccc1n3-c1ccccc1)c1cc(N3c4ccccc4-c4ccccc4-c4ccccc43)ccc1N2c1ccccc1
InChIInChI=1S/C72H48N4/c1-3-19-49(20-4-1)73-69-39-35-47(43-61(69)63-45-51(37-41-71(63)73)75-65-31-15-11-27-57(65)53-23-7-8-24-54(53)58-28-12-16-32-66(58)75)48-36-40-70-62(44-48)64-46-52(38-42-72(64)74(70)50-21-5-2-6-22-50)76-67-33-17-13-29-59(67)55-25-9-10-26-56(55)60-30-14-18-34-68(60)76/h1-46,61,69H
InChIKeyJVRWULBEHJXZCX-UHFFFAOYSA-N
XLogP19.28
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.20
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene with MolForge

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Related Compounds

9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235086
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421

Frequently Asked Questions

What is the IUPAC name of 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 89285749) is 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is C1=CC2C(C=C1c1ccc3c(c1)c1cc(N4c5ccccc5-c5ccccc5-c5ccccc54)ccc1n3-c1ccccc1)c1cc(N3c4ccccc4-c4ccccc4-c4ccccc43)ccc1N2c1ccccc1.
What is the InChIKey of 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is JVRWULBEHJXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4/c1-3-19-49(20-4-1)73-69-39-35-47(43-61(69)63-45-51(37-41-71(63)73)75-65-31-15-11-27-57(65)53-23-7-8-24-54(53)58-28-12-16-32-66(58)75)48-36-40-70-62(44-48)64-46-52(38-42-72(64)74(70)50-21-5-2-6-22-50)76-67-33-17-13-29-59(67)55-25-9-10-26-56(55)60-30-14-18-34-68(60)76/h1-46,61,69H.
What are the key properties of 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 969.20 g/mol, XLogP of 19.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 89285749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).