N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine

C79H51N3 — CID 171418739

IUPACN-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c7ccc(-c8cccc9c8C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7n(-c7ccc(-c8ccccc8)cc7)c6c5)c4c3)cc2)cc1
InChIInChI=1S/C79H51N3/c1-4-19-52(20-5-1)54-35-40-58(41-36-54)80(57-23-8-3-9-24-57)60-44-47-68-66-28-13-17-34-74(66)82(77(68)50-60)61-45-48-69-67-46-39-56(49-75(67)81(76(69)51-61)59-42-37-55(38-43-59)53-21-6-2-7-22-53)62-29-18-30-70-65-27-12-16-33-73(65)79(78(62)70)71-31-14-10-25-63(71)64-26-11-15-32-72(64)79/h1-51H
InChIKeyPWMUZSMOOQUCSM-UHFFFAOYSA-N
MW1042.30 g/mol
LogP20.70
Rot. Bonds8

About N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine

N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine (PubChem CID 171418739) has the molecular formula C79H51N3 and a molecular weight of 1042.30 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine
PubChem CID171418739
Molecular FormulaC79H51N3
Molecular Weight1042.30 g/mol
Exact Mass1041.41
IUPAC NameN-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c7ccc(-c8cccc9c8C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7n(-c7ccc(-c8ccccc8)cc7)c6c5)c4c3)cc2)cc1
InChIInChI=1S/C79H51N3/c1-4-19-52(20-5-1)54-35-40-58(41-36-54)80(57-23-8-3-9-24-57)60-44-47-68-66-28-13-17-34-74(66)82(77(68)50-60)61-45-48-69-67-46-39-56(49-75(67)81(76(69)51-61)59-42-37-55(38-43-59)53-21-6-2-7-22-53)62-29-18-30-70-65-27-12-16-33-73(65)79(78(62)70)71-31-14-10-25-63(71)64-26-11-15-32-72(64)79/h1-51H
InChIKeyPWMUZSMOOQUCSM-UHFFFAOYSA-N
XLogP20.70
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.30
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
CID 156664796
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine (CID 171418739) is N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6c7ccc(-c8cccc9c8C8(c%10ccccc%10-c%10ccccc%108)c8ccccc8-9)cc7n(-c7ccc(-c8ccccc8)cc7)c6c5)c4c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine?
The InChIKey is PWMUZSMOOQUCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51N3/c1-4-19-52(20-5-1)54-35-40-58(41-36-54)80(57-23-8-3-9-24-57)60-44-47-68-66-28-13-17-34-74(66)82(77(68)50-60)61-45-48-69-67-46-39-56(49-75(67)81(76(69)51-61)59-42-37-55(38-43-59)53-21-6-2-7-22-53)62-29-18-30-70-65-27-12-16-33-73(65)79(78(62)70)71-31-14-10-25-63(71)64-26-11-15-32-72(64)79/h1-51H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine?
N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine has a molecular weight of 1042.30 g/mol, XLogP of 20.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine is sourced from PubChem (CID 171418739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).