N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine

C45H29N — CID 168740046

IUPACN,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc4ccc5ccccc5c4cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C45H29N/c1-3-14-32(15-4-1)46(33-16-5-2-6-17-33)34-25-26-43-40(28-34)39-27-31-24-23-30-13-7-8-18-35(30)38(31)29-44(39)45(43)41-21-11-9-19-36(41)37-20-10-12-22-42(37)45/h1-29H
InChIKeyNFQGAAHWLMYTMP-UHFFFAOYSA-N
MW583.73 g/mol
LogP11.81
Rot. Bonds3

About N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine

N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine (PubChem CID 168740046) has the molecular formula C45H29N and a molecular weight of 583.73 g/mol. Its IUPAC name is N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine.

Molecular Properties

Compound NameN,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine
PubChem CID168740046
Molecular FormulaC45H29N
Molecular Weight583.73 g/mol
Exact Mass583.23
IUPAC NameN,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc4ccc5ccccc5c4cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C45H29N/c1-3-14-32(15-4-1)46(33-16-5-2-6-17-33)34-25-26-43-40(28-34)39-27-31-24-23-30-13-7-8-18-35(30)38(31)29-44(39)45(43)41-21-11-9-19-36(41)37-20-10-12-22-42(37)45/h1-29H
InChIKeyNFQGAAHWLMYTMP-UHFFFAOYSA-N
XLogP11.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine with MolForge

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Related Compounds

N-chrysen-5-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 164747986
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
1-N-(3-chlorophenyl)-3-N-phenanthren-3-yl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 146601590
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
3-N-(9,9-dimethylfluoren-3-yl)-1-N-(10,10-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052273
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 139352859
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614658
N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
N,N-bis(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine
CID 140918835
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine?
The IUPAC name of N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine (CID 168740046) is N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine.
What is the SMILES notation for N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine?
The canonical SMILES for N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc4ccc5ccccc5c4cc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine?
The InChIKey is NFQGAAHWLMYTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N/c1-3-14-32(15-4-1)46(33-16-5-2-6-17-33)34-25-26-43-40(28-34)39-27-31-24-23-30-13-7-8-18-35(30)38(31)29-44(39)45(43)41-21-11-9-19-36(41)37-20-10-12-22-42(37)45/h1-29H.
What are the key properties of N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine?
N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine has a molecular weight of 583.73 g/mol, XLogP of 11.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene]-6'-amine is sourced from PubChem (CID 168740046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).