N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine

C32H31BrN2 — CID 177086773

IUPACN-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine
SMILESCC1(C)CCC(C)(C)c2cc(Nc3cccc4c5ccccc5n(-c5ccccc5)c34)c(Br)cc21
InChIInChI=1S/C32H31BrN2/c1-31(2)17-18-32(3,4)25-20-28(26(33)19-24(25)31)34-27-15-10-14-23-22-13-8-9-16-29(22)35(30(23)27)21-11-6-5-7-12-21/h5-16,19-20,34H,17-18H2,1-4H3
InChIKeyDJGDOMMRSQEVLH-UHFFFAOYSA-N
MW523.52 g/mol
LogP9.64
Rot. Bonds3

About N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine

N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine (PubChem CID 177086773) has the molecular formula C32H31BrN2 and a molecular weight of 523.52 g/mol. Its IUPAC name is N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine
PubChem CID177086773
Molecular FormulaC32H31BrN2
Molecular Weight523.52 g/mol
Exact Mass522.17
IUPAC NameN-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine
SMILESCC1(C)CCC(C)(C)c2cc(Nc3cccc4c5ccccc5n(-c5ccccc5)c34)c(Br)cc21
InChIInChI=1S/C32H31BrN2/c1-31(2)17-18-32(3,4)25-20-28(26(33)19-24(25)31)34-27-15-10-14-23-22-13-8-9-16-29(22)35(30(23)27)21-11-6-5-7-12-21/h5-16,19-20,34H,17-18H2,1-4H3
InChIKeyDJGDOMMRSQEVLH-UHFFFAOYSA-N
XLogP9.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carbazol-9-ylphenyl)-18,18,21,21-tetramethyl-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17(22),23-nonaene
CID 177087240
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086967
5-bromo-11-phenylbenzo[a]carbazole
CID 58410432
22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087294
3-[4-(4-fluorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17,17,20,20-tetramethyl-24-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086962
diphenyl-[3-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285345
diphenyl-[4-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285384
14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene
CID 177087005
21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177087233
diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285287
21,21,24,24-tetramethyl-3-naphthalen-2-yl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177087063
5,5,8,8-tetramethyl-3,4-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-6,7-dihydronaphthalene-1,2-dicarbonitrile
CID 122609963

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine?
The IUPAC name of N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine (CID 177086773) is N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine?
The canonical SMILES for N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine is CC1(C)CCC(C)(C)c2cc(Nc3cccc4c5ccccc5n(-c5ccccc5)c34)c(Br)cc21.
What is the InChIKey of N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine?
The InChIKey is DJGDOMMRSQEVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrN2/c1-31(2)17-18-32(3,4)25-20-28(26(33)19-24(25)31)34-27-15-10-14-23-22-13-8-9-16-29(22)35(30(23)27)21-11-6-5-7-12-21/h5-16,19-20,34H,17-18H2,1-4H3.
What are the key properties of N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine?
N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine has a molecular weight of 523.52 g/mol, XLogP of 9.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9-phenylcarbazol-1-amine is sourced from PubChem (CID 177086773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).