N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine

C53H46N2Si — CID 90306200

IUPACN-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2cc(N(c3cc4c5c(ccc6cccc(c65)C4(C)C)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C53H46N2Si/c1-52(2)44-18-13-14-33-20-21-34-28-38(31-47(52)51(34)50(33)44)54(37-22-25-40-41-26-24-39(56(5,6)7)32-46(41)53(3,4)45(40)30-37)36-23-27-49-43(29-36)42-17-11-12-19-48(42)55(49)35-15-9-8-10-16-35/h8-32H,1-7H3
InChIKeyGTFQYCYCXAJBDP-UHFFFAOYSA-N
MW739.05 g/mol
LogP14.05
Rot. Bonds5

About N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine

N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine (PubChem CID 90306200) has the molecular formula C53H46N2Si and a molecular weight of 739.05 g/mol. Its IUPAC name is N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine
PubChem CID90306200
Molecular FormulaC53H46N2Si
Molecular Weight739.05 g/mol
Exact Mass738.34
IUPAC NameN-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2cc(N(c3cc4c5c(ccc6cccc(c65)C4(C)C)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C53H46N2Si/c1-52(2)44-18-13-14-33-20-21-34-28-38(31-47(52)51(34)50(33)44)54(37-22-25-40-41-26-24-39(56(5,6)7)32-46(41)53(3,4)45(40)30-37)36-23-27-49-43(29-36)42-17-11-12-19-48(42)55(49)35-15-9-8-10-16-35/h8-32H,1-7H3
InChIKeyGTFQYCYCXAJBDP-UHFFFAOYSA-N
XLogP14.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.05
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 90306227
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]carbazol-3-amine
CID 90148439
N-(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90306203
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
N-[9,9-dimethyl-7-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)fluoren-2-yl]-N,9-diphenylcarbazol-3-amine
CID 177100411
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 118289290
N-(9,9-dimethyl-7-triphenylsilylfluoren-2-yl)-N,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;N-(9,9-dimethyl-7-triphenylsilylfluoren-2-yl)-N,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine;N-(9,9-dimethyl-7-triphenylsilylfluoren-2-yl)-N-naphthalen-1-yl-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;N-(9,9-dimethyl-7-triphenylsilylfluoren-2-yl)-N-naphthalen-1-yl-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 159651319
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
9,9-dimethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)-7-trimethylsilylfluorene-2,4-diamine;9-N,9-N,11-N,11-N,7,7-hexakis-phenylbenzo[g]fluorene-9,11-diamine;2-N,4-N,4-N,9-tetraphenyl-9-(9-phenylcarbazol-3-yl)-2-N-(4-phenylphenyl)fluorene-2,4-diamine
CID 159975632
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine
CID 146926294

Frequently Asked Questions

What is the IUPAC name of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine (CID 90306200) is N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine is CC1(C)c2cc(N(c3cc4c5c(ccc6cccc(c65)C4(C)C)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc([Si](C)(C)C)cc21.
What is the InChIKey of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The InChIKey is GTFQYCYCXAJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2Si/c1-52(2)44-18-13-14-33-20-21-34-28-38(31-47(52)51(34)50(33)44)54(37-22-25-40-41-26-24-39(56(5,6)7)32-46(41)53(3,4)45(40)30-37)36-23-27-49-43(29-36)42-17-11-12-19-48(42)55(49)35-15-9-8-10-16-35/h8-32H,1-7H3.
What are the key properties of N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine?
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine has a molecular weight of 739.05 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(9,9-dimethyl-7-trimethylsilylfluoren-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 90306200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).