N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine

C49H35BrN2 — CID 58161318

IUPACN-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(Br)c5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H35BrN2/c1-49(2)44-18-10-8-15-39(44)42-30-35(24-27-45(42)49)51(34-22-20-32(21-23-34)37-26-28-46(50)40-16-7-6-14-38(37)40)36-25-29-48-43(31-36)41-17-9-11-19-47(41)52(48)33-12-4-3-5-13-33/h3-31H,1-2H3
InChIKeyDLSWXFIPLMEKHE-UHFFFAOYSA-N
MW731.74 g/mol
LogP14.14
Rot. Bonds5

About N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine

N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine (PubChem CID 58161318) has the molecular formula C49H35BrN2 and a molecular weight of 731.74 g/mol. Its IUPAC name is N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
PubChem CID58161318
Molecular FormulaC49H35BrN2
Molecular Weight731.74 g/mol
Exact Mass730.20
IUPAC NameN-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(Br)c5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C49H35BrN2/c1-49(2)44-18-10-8-15-39(44)42-30-35(24-27-45(42)49)51(34-22-20-32(21-23-34)37-26-28-46(50)40-16-7-6-14-38(37)40)36-25-29-48-43(31-36)41-17-9-11-19-47(41)52(48)33-12-4-3-5-13-33/h3-31H,1-2H3
InChIKeyDLSWXFIPLMEKHE-UHFFFAOYSA-N
XLogP14.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.74
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine (CID 58161318) is N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(Br)c5ccccc45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
The InChIKey is DLSWXFIPLMEKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35BrN2/c1-49(2)44-18-10-8-15-39(44)42-30-35(24-27-45(42)49)51(34-22-20-32(21-23-34)37-26-28-46(50)40-16-7-6-14-38(37)40)36-25-29-48-43(31-36)41-17-9-11-19-47(41)52(48)33-12-4-3-5-13-33/h3-31H,1-2H3.
What are the key properties of N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine?
N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine has a molecular weight of 731.74 g/mol, XLogP of 14.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58161318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).