N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline

C65H48N2 — CID 89196839

IUPACN-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C65H48N2/c1-65(2)59-25-13-10-18-51(59)52-41-34-46(42-60(52)65)64-57-23-8-6-21-55(57)63(56-22-7-9-24-58(56)64)45-30-28-43(29-31-45)44-32-35-48(36-33-44)66(47-16-4-3-5-17-47)49-37-39-50(40-38-49)67-61-26-14-11-19-53(61)54-20-12-15-27-62(54)67/h3-12,14-24,26-42H,13,25H2,1-2H3
InChIKeyXVURSZXYIKBBTD-UHFFFAOYSA-N
MW857.11 g/mol
LogP17.96
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline (PubChem CID 89196839) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
PubChem CID89196839
Molecular FormulaC65H48N2
Molecular Weight857.11 g/mol
Exact Mass856.38
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
SMILESCC1(C)C2=C(C=CCC2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C65H48N2/c1-65(2)59-25-13-10-18-51(59)52-41-34-46(42-60(52)65)64-57-23-8-6-21-55(57)63(56-22-7-9-24-58(56)64)45-30-28-43(29-31-45)44-32-35-48(36-33-44)66(47-16-4-3-5-17-47)49-37-39-50(40-38-49)67-61-26-14-11-19-53(61)54-20-12-15-27-62(54)67/h3-12,14-24,26-42H,13,25H2,1-2H3
InChIKeyXVURSZXYIKBBTD-UHFFFAOYSA-N
XLogP17.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.11
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
8,9,9-trimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-7,8-dihydrofluoren-2-amine
CID 138737549
9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(3-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 135163157
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
4-methyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]aniline
CID 170261145
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline (CID 89196839) is N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline is CC1(C)C2=C(C=CCC2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccccc34)cc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline?
The InChIKey is XVURSZXYIKBBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-65(2)59-25-13-10-18-51(59)52-41-34-46(42-60(52)65)64-57-23-8-6-21-55(57)63(56-22-7-9-24-58(56)64)45-30-28-43(29-31-45)44-32-35-48(36-33-44)66(47-16-4-3-5-17-47)49-37-39-50(40-38-49)67-61-26-14-11-19-53(61)54-20-12-15-27-62(54)67/h3-12,14-24,26-42H,13,25H2,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline has a molecular weight of 857.11 g/mol, XLogP of 17.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 89196839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).