9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine

C55H38N2 — CID 90148474

IUPAC9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4ccc5cccc6c5c4c(c3)n6-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C55H38N2/c1-55(2)47-32-38(40-31-39-26-25-37-17-12-24-51-53(37)54(39)52(33-40)57(51)50-23-11-16-36-14-7-9-21-44(36)50)27-29-45(47)46-30-28-42(34-48(46)55)56(41-18-4-3-5-19-41)49-22-10-15-35-13-6-8-20-43(35)49/h3-34H,1-2H3
InChIKeyAJMVYRVSWSDAOI-UHFFFAOYSA-N
MW726.92 g/mol
LogP15.12
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine (PubChem CID 90148474) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine
PubChem CID90148474
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4ccc5cccc6c5c4c(c3)n6-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C55H38N2/c1-55(2)47-32-38(40-31-39-26-25-37-17-12-24-51-53(37)54(39)52(33-40)57(51)50-23-11-16-36-14-7-9-21-44(36)50)27-29-45(47)46-30-28-42(34-48(46)55)56(41-18-4-3-5-19-41)49-22-10-15-35-13-6-8-20-43(35)49/h3-34H,1-2H3
InChIKeyAJMVYRVSWSDAOI-UHFFFAOYSA-N
XLogP15.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine 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

10-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-N,N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
CID 90125563
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-1-amine
CID 155004194
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine
CID 90148461
9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine
CID 90305750
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 159442590
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 159946266
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038321

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine (CID 90148474) is 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine is CC1(C)c2cc(-c3cc4ccc5cccc6c5c4c(c3)n6-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine?
The InChIKey is AJMVYRVSWSDAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)47-32-38(40-31-39-26-25-37-17-12-24-51-53(37)54(39)52(33-40)57(51)50-23-11-16-36-14-7-9-21-44(36)50)27-29-45(47)46-30-28-42(34-48(46)55)56(41-18-4-3-5-19-41)49-22-10-15-35-13-6-8-20-43(35)49/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine has a molecular weight of 726.92 g/mol, XLogP of 15.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-7-(15-naphthalen-1-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 90148474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).