4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile

C180H108N12 — CID 162198701

IUPAC4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
SMILESN#Cc1ccc2c(ccc3cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)ccc32)c1.N#Cc1ccc2c(ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc32)c1.N#Cc1ccc2ccc3cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)ccc3c2c1.[C-]#[N+]c1ccc2ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc3c2c1
InChIInChI=1S/4C45H27N3/c1-46-32-23-20-29-18-19-30-21-24-34(28-39(30)38(29)27-32)48-41-15-7-5-12-36(41)40-26-31(22-25-43(40)48)35-14-9-17-44-45(35)37-13-6-8-16-42(37)47(44)33-10-3-2-4-11-33;46-28-29-17-23-35-31(25-29)19-18-30-20-22-34(27-39(30)35)48-41-14-6-4-11-37(41)40-26-32(21-24-43(40)48)36-13-8-16-44-45(36)38-12-5-7-15-42(38)47(44)33-9-2-1-3-10-33;46-28-29-17-22-35-30(25-29)18-19-31-26-34(21-23-36(31)35)48-41-14-6-4-11-38(41)40-27-32(20-24-43(40)48)37-13-8-16-44-45(37)39-12-5-7-15-42(39)47(44)33-9-2-1-3-10-33;46-28-29-17-18-30-19-20-31-26-34(22-23-35(31)39(30)25-29)48-41-14-6-4-11-37(41)40-27-32(21-24-43(40)48)36-13-8-16-44-45(36)38-12-5-7-15-42(38)47(44)33-9-2-1-3-10-33/h2-28H;3*1-27H
InChIKeyZRHFYDHUKFOWBT-UHFFFAOYSA-N
MW2438.93 g/mol
LogP47.58
Rot. Bonds12

About 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile

4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile (PubChem CID 162198701) has the molecular formula C180H108N12 and a molecular weight of 2438.93 g/mol. Its IUPAC name is 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile.

Molecular Properties

Compound Name4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
PubChem CID162198701
Molecular FormulaC180H108N12
Molecular Weight2438.93 g/mol
Exact Mass2436.88
IUPAC Name4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
SMILESN#Cc1ccc2c(ccc3cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)ccc32)c1.N#Cc1ccc2c(ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc32)c1.N#Cc1ccc2ccc3cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)ccc3c2c1.[C-]#[N+]c1ccc2ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc3c2c1
InChIInChI=1S/4C45H27N3/c1-46-32-23-20-29-18-19-30-21-24-34(28-39(30)38(29)27-32)48-41-15-7-5-12-36(41)40-26-31(22-25-43(40)48)35-14-9-17-44-45(35)37-13-6-8-16-42(37)47(44)33-10-3-2-4-11-33;46-28-29-17-23-35-31(25-29)19-18-30-20-22-34(27-39(30)35)48-41-14-6-4-11-37(41)40-26-32(21-24-43(40)48)36-13-8-16-44-45(36)38-12-5-7-15-42(38)47(44)33-9-2-1-3-10-33;46-28-29-17-22-35-30(25-29)18-19-31-26-34(21-23-36(31)35)48-41-14-6-4-11-38(41)40-27-32(20-24-43(40)48)37-13-8-16-44-45(37)39-12-5-7-15-42(39)47(44)33-9-2-1-3-10-33;46-28-29-17-18-30-19-20-31-26-34(22-23-35(31)39(30)25-29)48-41-14-6-4-11-37(41)40-27-32(21-24-43(40)48)36-13-8-16-44-45(36)38-12-5-7-15-42(38)47(44)33-9-2-1-3-10-33/h2-28H;3*1-27H
InChIKeyZRHFYDHUKFOWBT-UHFFFAOYSA-N
XLogP47.58
TPSA115.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002438.93
LogP ≤ 547.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369921
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
CID 162155580
6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155628253
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511

Frequently Asked Questions

What is the IUPAC name of 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The IUPAC name of 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile (CID 162198701) is 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile.
What is the SMILES notation for 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The canonical SMILES for 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile is N#Cc1ccc2c(ccc3cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)ccc32)c1.N#Cc1ccc2c(ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc32)c1.N#Cc1ccc2ccc3cc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)ccc3c2c1.[C-]#[N+]c1ccc2ccc3ccc(-n4c5ccccc5c5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc54)cc3c2c1.
What is the InChIKey of 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
The InChIKey is ZRHFYDHUKFOWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H27N3/c1-46-32-23-20-29-18-19-30-21-24-34(28-39(30)38(29)27-32)48-41-15-7-5-12-36(41)40-26-31(22-25-43(40)48)35-14-9-17-44-45(35)37-13-6-8-16-42(37)47(44)33-10-3-2-4-11-33;46-28-29-17-23-35-31(25-29)19-18-30-20-22-34(27-39(30)35)48-41-14-6-4-11-37(41)40-26-32(21-24-43(40)48)36-13-8-16-44-45(36)38-12-5-7-15-42(38)47(44)33-9-2-1-3-10-33;46-28-29-17-22-35-30(25-29)18-19-31-26-34(21-23-36(31)35)48-41-14-6-4-11-38(41)40-27-32(20-24-43(40)48)37-13-8-16-44-45(37)39-12-5-7-15-42(39)47(44)33-9-2-1-3-10-33;46-28-29-17-18-30-19-20-31-26-34(22-23-35(31)39(30)25-29)48-41-14-6-4-11-37(41)40-27-32(21-24-43(40)48)36-13-8-16-44-45(36)38-12-5-7-15-42(38)47(44)33-9-2-1-3-10-33/h2-28H;3*1-27H.
What are the key properties of 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile?
4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile has a molecular weight of 2438.93 g/mol, XLogP of 47.58, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile is sourced from PubChem (CID 162198701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).